[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3S/c23-20(22-11-12-26-15-16-5-2-1-3-6-16)14-25-21(24)19-10-9-17-7-4-8-18(17)13-19/h1-3,5-6,9-10,13H,4,7-8,11-12,14-15H2,(H,22,23)